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From Wave Function Sign Structure to Static Correlation Odkaz zde: https://doi.org/10.1021/acs.jctc.6c00954 Abstrakt: We define a variational nodal partition of correlation energy, Ecor = Esym + Estat, relative to a mean-field baseline and its single-determinant (SD) node. Estat is the component associated with replacing the exact node with the SD one, isolating Fermionic sign-structure correlation. The complement contains dynamic and strong nodeless correlation.…